REMARK  Name = BDB002682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.091   0.998  -1.500  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.438  -0.260  -1.263  0.00  0.00    -0.224 N 
ATOM      3  H   LIG    1       -0.247  -0.998  -1.100  0.00  0.00    +0.174 HD
ATOM      4  O   LIG    1        0.462   2.051  -1.186  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  N   LIG    1        1.557  -0.316  -0.444  0.00  0.00    -0.147 N 
ATOM      6  C   LIG    1        2.836  -0.119  -0.897  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        3.261   0.072  -2.021  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.683  -0.251   0.292  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.867  -0.570   1.369  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        3.377  -0.776   2.636  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        4.760  -0.645   2.796  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.589  -0.321   1.702  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.051  -0.121   0.427  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        1.488  -0.646   0.883  0.00  0.00    +0.271 C 
ATOM     15  O   LIG    1        0.532  -0.994   1.551  0.00  0.00    -0.268 OA
ENDBRANCH   2   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.442   0.956  -2.189  0.00  0.00    +0.136 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -2.941  -0.110  -0.429  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1       -2.589   1.010  -1.208  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -3.298   2.211  -1.049  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -4.356   2.297  -0.146  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.712   1.185   0.609  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.009  -0.014   0.470  0.00  0.00    +0.046 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -2.361  -2.294   0.319  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -2.190  -1.242  -0.628  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4